The synthesis is reported of a series of homo- and hetero-dinuclear octahedral complexes of the ligand 1, 1,2-bis(1-methyl-benzimidazol-2-yl) ethanol, where the two metal centres are linked by hydrogen bonds between coordinated alcohols and coordinated alkoxides. Homonuclear divalent M M , mixed-valent M M and heteronuclear M M' species are prepared. The complexes have been characterised by X-ray crystallography and show unusually short O⋅⋅⋅O distances for the hydrogen bonds. Magnetic measurements show the hydrogen-bond bridges can lead to ferromagnetic or antiferromagnetic coupling. The electrochemistry of the dinuclear species is significantly different from the mononuclear systems: the latter show irreversible waves in cyclic voltammograms as a result of the need to couple proton and electron transfer. The dinuclear species, in contrast, show reversible waves, which are attributed to rapid intramolecular proton transfer facilitated by the hydrogen-bonded structure.
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http://dx.doi.org/10.1002/chem.201700591 | DOI Listing |
J Phys Chem B
January 2025
School of Computational and Integrative Sciences, Jawaharlal Nehru University, New Delhi 110067, India.
Hydration free energy (HFE) of molecules is a fundamental property having importance throughout chemistry and biology. Calculation of the HFE can be challenging and expensive with classical molecular dynamics simulation-based approaches. Machine learning (ML) models are increasingly being used to predict HFE.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
School of Chemical Engineering and Light Industry, Guangdong University of Technology, Guangzhou 510006, P. R. China.
Flexible electronics have been rapidly advancing and have garnered significant interest in monitoring physiological activities and health conditions. However, flexible electronics are prone to detachment in humid environments, so developing human-friendly flexible electronic devices that can effectively monitor human movement under various aquatic conditions and function as flexible electrodes remains a significant challenge. Here, we report a strongly adherent, self-healing, and swelling-resistant conductive hydrogel formed by combining the dual synergistic effects of hydrogen bonding and dipole-dipole interactions.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
CSIR National Chemical Laboratory, Polymer Science and Engineering Division, INDIA.
Synthesis of value-added products from post-consumer waste polyolefins is fascinating as well as challenging. Here we report ruthenium-catalyzed up-cycling of the polyethylene to long-chain alkene derivatives. The developed methodology mainly involves two steps i.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry, Yale University, New Haven, Connecticut 06520, United States.
Ribonucleotide reductase (RNR) is essential for DNA synthesis and repair in all living organisms. The mechanism of RNR requires long-range radical transport through a proton-coupled electron transfer (PCET) pathway spanning two different protein subunits. Herein, the direct PCET reaction between the interfacial tyrosine residues, Y356 and Y731, is investigated with a vibronically nonadiabatic theory that treats the transferring proton and all electrons quantum mechanically.
View Article and Find Full Text PDFChem Soc Rev
January 2025
College of Chemistry, Nankai University, Tianjin 300071, China.
Developing new materials capable of the safe and efficient removal of toxic substances has become a research hotspot in the field of materials science, as these toxic substances pose a serious threat to human health, both directly and indirectly. Covalent organic frameworks (COFs), as an emerging class of crystalline porous materials, have advantages such as large specific surface area, tunable pore size, designable structure, and good biocompatibility, which have been proven to be a superior adsorbent design platform for toxic substances capture. This review will summarize the synthesis methods of COFs and the properties and characteristics of typical toxicants, discuss the design strategies of COF-based adsorbents for the removal of toxic substances, and highlight the recent advancements in COF-based adsorbents as robust candidates for the efficient removal of various types of toxicants, such as animal toxins, microbial toxins, phytotoxins, environmental toxins, The adsorption performance and related mechanisms of COF-based adsorbents for different types of toxic substances will be discussed.
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